SameRotamerComboGrouper.cc

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/// @file   protocols/match/output/SameRotamerComboGrouper.cc
/// @brief
/// @author Alex Zanghellini (zanghell@u.washington.edu)
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com), porting to mini

// Unit headers
#include <protocols/match/output/SameRotamerComboGrouper.hh>

// Package headers
#include <protocols/match/output/MatchGrouper.hh>
#include <protocols/match/Hit.hh>

// Utility headers
#include <utility/exit.hh>

#include <utility/OrderedTuple.hh>


namespace protocols {
namespace match {
namespace output {

SameRotamerComboGrouper::SameRotamerComboGrouper() : n_geometric_constraints_( 0 ) {}
SameRotamerComboGrouper::SameRotamerComboGrouper( Size ncst ) : n_geometric_constraints_( ncst ) {}

SameRotamerComboGrouper::~SameRotamerComboGrouper() {}

SameRotamerComboGrouper::Size
SameRotamerComboGrouper::assign_group_for_match(
  match const & m
)
{
  return assign_group_for_match( match_dspos1( m, 1 ) );
}

SameRotamerComboGrouper::Size
SameRotamerComboGrouper::assign_group_for_match(
  match_dspos1 const & m
)
{
  runtime_assert( m.upstream_hits.size() == n_geometric_constraints_ );

  utility::vector1< Size > rot_vector( n_geometric_constraints_ * 2, 0 );
  for ( Size ii = 1; ii <= n_geometric_constraints_; ++ii ) {
    rot_vector[ ii ] = m.upstream_hits[ ii ].scaffold_build_id();
    rot_vector[ n_geometric_constraints_ + ii ] = m.upstream_hits[ ii ].upstream_conf_id();
  }

  RotamerComboCountMap::const_iterator iter = rotamer_combo_indexer_.find( rot_vector );
  if ( iter == rotamer_combo_indexer_.end() ) {
    Size next_index = rotamer_combo_indexer_.size() + 1;
    rotamer_combo_indexer_[ rot_vector ] = next_index;
    return next_index;
  } else {
    return iter->second;
  }
}

void
SameRotamerComboGrouper::reset()
{
  rotamer_combo_indexer_.clear();
}

void
SameRotamerComboGrouper::set_n_geometric_constraints( Size n_csts )
{
  n_geometric_constraints_ = n_csts;
}


}
}
}